2-(2-bromo-4-chlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

Formula:C13H10N2O2BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName2-(2-bromo-4-chlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormulaC13H10N2O2BrClS
SmilesO=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1cccs1
InChIInChI=1S/C13H10BrClN2O2S/c14-11-6-9(15)3-4-12(11)19-8-13(18)17-16-7-10-2-1-5-20-10/h1-7H,8H2,(H,17,18)
InChIKCPODHBWMXZDQBS-UHFFFAOYSA-N
TotalMolweight373.657
Molweight373.657
MonoisotopicMass371.933486
CLogP3.9743
CLogS-5.081
H Acceptors4
H Donors1
TotalSurfaceArea240.74
Relative PSA0.27569
PolarSurfaceArea78.93
Druglikeness4.0931
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.7
Fragments1
Non HAtoms20
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
StereoCon

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